2-[(6-methylpyrazin-2-yl)amino]-2-(4-propan-2-ylphenyl)ethanol

C16H21N3O — CID 167928187

IUPAC2-[(6-methylpyrazin-2-yl)amino]-2-(4-propan-2-ylphenyl)ethanol
SMILESCc1cncc(NC(CO)c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H21N3O/c1-11(2)13-4-6-14(7-5-13)15(10-20)19-16-9-17-8-12(3)18-16/h4-9,11,15,20H,10H2,1-3H3,(H,18,19)
InChIKeyHWOFODZZMOWRKB-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.05
Rot. Bonds5

About 2-[(6-methylpyrazin-2-yl)amino]-2-(4-propan-2-ylphenyl)ethanol

2-[(6-methylpyrazin-2-yl)amino]-2-(4-propan-2-ylphenyl)ethanol (PubChem CID 167928187) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(6-methylpyrazin-2-yl)amino]-2-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-[(6-methylpyrazin-2-yl)amino]-2-(4-propan-2-ylphenyl)ethanol
PubChem CID167928187
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[(6-methylpyrazin-2-yl)amino]-2-(4-propan-2-ylphenyl)ethanol
SMILESCc1cncc(NC(CO)c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H21N3O/c1-11(2)13-4-6-14(7-5-13)15(10-20)19-16-9-17-8-12(3)18-16/h4-9,11,15,20H,10H2,1-3H3,(H,18,19)
InChIKeyHWOFODZZMOWRKB-UHFFFAOYSA-N
XLogP3.05
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylpyrazin-2-yl)amino]-2-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-[(6-methylpyrazin-2-yl)amino]-2-(4-propan-2-ylphenyl)ethanol (CID 167928187) is 2-[(6-methylpyrazin-2-yl)amino]-2-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-[(6-methylpyrazin-2-yl)amino]-2-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-[(6-methylpyrazin-2-yl)amino]-2-(4-propan-2-ylphenyl)ethanol is Cc1cncc(NC(CO)c2ccc(C(C)C)cc2)n1.
What is the InChIKey of 2-[(6-methylpyrazin-2-yl)amino]-2-(4-propan-2-ylphenyl)ethanol?
The InChIKey is HWOFODZZMOWRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(2)13-4-6-14(7-5-13)15(10-20)19-16-9-17-8-12(3)18-16/h4-9,11,15,20H,10H2,1-3H3,(H,18,19).
What are the key properties of 2-[(6-methylpyrazin-2-yl)amino]-2-(4-propan-2-ylphenyl)ethanol?
2-[(6-methylpyrazin-2-yl)amino]-2-(4-propan-2-ylphenyl)ethanol has a molecular weight of 271.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylpyrazin-2-yl)amino]-2-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 167928187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).